Information card for entry 7105106

Structure parameters

• Formula: C26 H25 N3 O3
• Calculated formula: C26 H25 N3 O3
• SMILES: [O-]C(=O)/C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)C#N.O1CC[NH2+]CC1
• Title of publication: Switching and tuning organic solid-state luminescence via a supramolecular approach
• Authors of publication: Savarimuthu Philip Anthony; Sunil Varughese; Sylvia M. Draper
• Journal of publication: Chem. Commun.
• Year of publication: 2009
• Pages of publication: 7500 - 7502
• a: 11.231 ± 0.001 Å
• b: 16.368 ± 0.001 Å
• c: 26.031 ± 0.002 Å
• α: 99.435 ± 0.001°
• β: 102.219 ± 0.001°
• γ: 99.471 ± 0.002°
• Cell volume: 4514 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1035
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No